(1R)-4-methylcyclohex-3-ene-1-carbaldehyde

C8H12O — CID 7367165

IUPAC(1R)-4-methylcyclohex-3-ene-1-carbaldehyde
SMILESCC1=CC[C@H](C=O)CC1
InChIInChI=1S/C8H12O/c1-7-2-4-8(6-9)5-3-7/h2,6,8H,3-5H2,1H3/t8-/m0/s1
InChIKeyYPHGCKOZJCGDTF-QMMMGPOBSA-N
MW124.18 g/mol
LogP1.93
Rot. Bonds1

About (1R)-4-methylcyclohex-3-ene-1-carbaldehyde

(1R)-4-methylcyclohex-3-ene-1-carbaldehyde (PubChem CID 7367165) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (1R)-4-methylcyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1R)-4-methylcyclohex-3-ene-1-carbaldehyde
PubChem CID7367165
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(1R)-4-methylcyclohex-3-ene-1-carbaldehyde
SMILESCC1=CC[C@H](C=O)CC1
InChIInChI=1S/C8H12O/c1-7-2-4-8(6-9)5-3-7/h2,6,8H,3-5H2,1H3/t8-/m0/s1
InChIKeyYPHGCKOZJCGDTF-QMMMGPOBSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-methylcyclohex-3-ene-1-carbaldehyde?
The IUPAC name of (1R)-4-methylcyclohex-3-ene-1-carbaldehyde (CID 7367165) is (1R)-4-methylcyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for (1R)-4-methylcyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for (1R)-4-methylcyclohex-3-ene-1-carbaldehyde is CC1=CC[C@H](C=O)CC1.
What is the InChIKey of (1R)-4-methylcyclohex-3-ene-1-carbaldehyde?
The InChIKey is YPHGCKOZJCGDTF-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12O/c1-7-2-4-8(6-9)5-3-7/h2,6,8H,3-5H2,1H3/t8-/m0/s1.
What are the key properties of (1R)-4-methylcyclohex-3-ene-1-carbaldehyde?
(1R)-4-methylcyclohex-3-ene-1-carbaldehyde has a molecular weight of 124.18 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-methylcyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 7367165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).